1-butyl-1-(1-butylcyclohexyl)cyclohexane

C20H38 — CID 173069670

IUPAC1-butyl-1-(1-butylcyclohexyl)cyclohexane
SMILESCCCCC1(C2(CCCC)CCCCC2)CCCCC1
InChIInChI=1S/C20H38/c1-3-5-13-19(15-9-7-10-16-19)20(14-6-4-2)17-11-8-12-18-20/h3-18H2,1-2H3
InChIKeyNQPXWDABPILOSA-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.27
Rot. Bonds7

About 1-butyl-1-(1-butylcyclohexyl)cyclohexane

1-butyl-1-(1-butylcyclohexyl)cyclohexane (PubChem CID 173069670) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1-butyl-1-(1-butylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-butyl-1-(1-butylcyclohexyl)cyclohexane
PubChem CID173069670
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1-butyl-1-(1-butylcyclohexyl)cyclohexane
SMILESCCCCC1(C2(CCCC)CCCCC2)CCCCC1
InChIInChI=1S/C20H38/c1-3-5-13-19(15-9-7-10-16-19)20(14-6-4-2)17-11-8-12-18-20/h3-18H2,1-2H3
InChIKeyNQPXWDABPILOSA-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-1-(1-ethylcyclohexyl)cyclohexane
CID 173123724
1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
(1-butylcyclobutyl)methanol
CID 12786214
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
(1-hexylcyclohexyl)methanol
CID 66024993
(1-pentylcyclopentyl)methanamine
CID 62725889
1-butylcyclohexan-1-amine
CID 13182498
1-(3-bromopropyl)-1-propylcyclohexane
CID 150638484

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(1-butylcyclohexyl)cyclohexane?
The IUPAC name of 1-butyl-1-(1-butylcyclohexyl)cyclohexane (CID 173069670) is 1-butyl-1-(1-butylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-butyl-1-(1-butylcyclohexyl)cyclohexane?
The canonical SMILES for 1-butyl-1-(1-butylcyclohexyl)cyclohexane is CCCCC1(C2(CCCC)CCCCC2)CCCCC1.
What is the InChIKey of 1-butyl-1-(1-butylcyclohexyl)cyclohexane?
The InChIKey is NQPXWDABPILOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-3-5-13-19(15-9-7-10-16-19)20(14-6-4-2)17-11-8-12-18-20/h3-18H2,1-2H3.
What are the key properties of 1-butyl-1-(1-butylcyclohexyl)cyclohexane?
1-butyl-1-(1-butylcyclohexyl)cyclohexane has a molecular weight of 278.52 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(1-butylcyclohexyl)cyclohexane is sourced from PubChem (CID 173069670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).